1-PHENYL-3-(2-THIAZOLYL)-2-THIOUREA(14901-16-7) MS
Product Name1-PHENYL-3-(2-THIAZOLYL)-2-THIOUREA
CAS14901-16-7
Molecular FormulaC10H9N3S2
Molecular Weight235.33
InChIInChI=1S/C10H9N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)
InChIKey GCZZOZBWAZHCAN-UHFFFAOYSA-N
SmilesN(C1=CC=CC=C1)C(NC1=NC=CS1)=S
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MassMS-NW-6728 N-phenyl-N'-(2-thiazolyl)thiourea C10H9N3S2 (Mass of molecular ion: 235)
Source Temperature: 200 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 1.2 26.0 2.1 27.0 3.1 28.0 5.8 32.0 7.4 33.0 5.3 34.0 14.1 37.0 2.4 38.0 5.3 39.0 12.7 40.0 4.5 41.0 3.1 42.0 1.0 44.0 3.7 45.0 12.2 46.0 3.3 46.5 2.6 50.0 7.7 51.0 24.5 52.0 5.1 53.0 2.2 54.0 2.3 55.0 2.9 57.0 9.9 58.0 100.0 59.0 6.9 60.0 5.4 61.0 1.3 62.0 2.1 63.0 5.1 64.0 4.1 65.0 14.2 66.0 18.8 67.0 2.6 70.0 5.1 71.0 2.2 72.0 1.3 73.0 7.5 74.0 2.7 75.0 2.4 76.0 5.8 77.0 41.3 78.0 4.7 80.0 1.2 83.0 1.5 84.0 3.0 85.0 11.1 90.0 1.4 91.0 2.7 92.0 6.8 93.0 70.0 94.0 5.1 98.0 1.4 99.0 1.0 100.0 84.9 100.5 1.5 101.0 4.9 102.0 4.5 103.0 6.2 104.0 3.4 109.0 5.1 111.0 1.3 116.0 1.1 117.5 1.4 118.0 3.9 119.0 1.2 124.0 1.0 126.0 1.1 129.0 2.6 135.0 9.2 136.0 6.7 137.0 1.0 142.0 50.8 143.0 8.7 144.0 7.3 145.0 1.0 161.0 1.0 174.0 1.7 175.0 2.8 200.0 3.4 201.0 72.8 202.0 11.8 203.0 4.8 235.0 21.4 236.0 3.1 237.0 2.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H9 N3 S2 0.040 g : 0.5 ml DMSO-d6 N-phenyl-N'-(2-thiazolyl)thiourea 
Assign. Shift(ppm)
A *1 12.5 B *1 10.5 C 7.721 D 7.461 E 7.329 F 7.096 G 7.010
Hz ppm Int.4984.69 12.473 35 4183.70 10.469 25 3099.36 7.756 25 3090.02 7.732 696 3082.33 7.713 740 2990.01 7.482 28 2989.64 7.481 29 2984.15 7.467 980 2979.94 7.457 1000 2937.07 7.350 446 2929.38 7.330 736 2921.32 7.310 455 2843.11 7.115 177 2835.78 7.096 273 2828.46 7.078 129 2813.07 7.039 23 2811.79 7.036 29 2811.24 7.035 32 2803.91 7.016 345 2799.88 7.006 319
in DMSO-d6
KBr disc
nujol mull
